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WQMTVIWUDHFWNR-VQVTYTSYSA-N
SpectraBase Compound ID JNzxmaqHC0v
InChI InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6+,7+/m1/s1
InChIKey WQMTVIWUDHFWNR-VQVTYTSYSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iodnqrf9f9N
Name (4R,5S,6R)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-one
Alternate Name(s) (4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enone (4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-one (4R,5S,6R)-4,5,6-trihydroxy-3-methylol-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6+,7+/m1/s1
InChIKey WQMTVIWUDHFWNR-VQVTYTSYSA-N
Molecular Weight 174.152 g/mol
SMILES O[C@]1([C@@]([C@](C(C=C1CO)=O)(O)[H])(O)[H])[H]
SPLASH splash10-0292-9500000000-57fa1034f5d156fb2ddd
Source of Spectrum J-63-5671-1
Wiley ID 1170143